N-propan-2-ylcyclopropanecarboxamide

C7H13NO — CID 528615

IUPACN-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)NC(=O)C1CC1
InChIInChI=1S/C7H13NO/c1-5(2)8-7(9)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyVXCRRRAZVHYGPA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds2

About N-propan-2-ylcyclopropanecarboxamide

N-propan-2-ylcyclopropanecarboxamide (PubChem CID 528615) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-propan-2-ylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-propan-2-ylcyclopropanecarboxamide
PubChem CID528615
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)NC(=O)C1CC1
InChIInChI=1S/C7H13NO/c1-5(2)8-7(9)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyVXCRRRAZVHYGPA-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylcyclopropanecarboxamide?
The IUPAC name of N-propan-2-ylcyclopropanecarboxamide (CID 528615) is N-propan-2-ylcyclopropanecarboxamide.
What is the SMILES notation for N-propan-2-ylcyclopropanecarboxamide?
The canonical SMILES for N-propan-2-ylcyclopropanecarboxamide is CC(C)NC(=O)C1CC1.
What is the InChIKey of N-propan-2-ylcyclopropanecarboxamide?
The InChIKey is VXCRRRAZVHYGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)8-7(9)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-propan-2-ylcyclopropanecarboxamide?
N-propan-2-ylcyclopropanecarboxamide has a molecular weight of 127.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylcyclopropanecarboxamide is sourced from PubChem (CID 528615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).